A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

Seeking to improve automatic emotion tracking, which detects and monitors emotions over time, a group of researchers in the field of human-computer interaction decided to approach the task by modeling ...

Transition state search is key in chemistry for elucidating reaction mechanisms and exploring reaction networks. The search for accurate 3D transition state structures, however, requires numerous ...